ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate

Systemtic Name: ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate Openeye Name: ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate CAS Name: 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]-2-(1-oxoheptylamino)acetic acid ethyl ester IUPAC Name: ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate Traditional Name: 2-(enanthylamino)-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester Formula: C17H31N3O4S MolecularWeight: 373.51074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(C(=O)OCC)C1(CCN(CC1)C)SN=O

Isomeric SMILES

CCCCCCC(=O)NC(C(=O)OCC)C1(CCN(CC1)C)SN=O

InChI

InChI=1S/C17H31N3O4S/c1-4-6-7-8-9-14(21)18-15(16(22)24-5-2)17(25-19-23)10-12-20(3)13-11-17/h15H,4-13H2,1-3H3,(H,18,21)